First principle analysis of toxic gas adsorption on pristine WS2 and Fe-doped WS2: Implications for gas sensing
C. Poornimadevi, C. Preferencial Kala, D. John Thiruvadigal
Topics & Concepts
Work functionAdsorptionPhysisorptionMaterials scienceDopingDensity of statesDensity functional theoryChemical physicsMoleculeTransition metalConductivityNanotechnologyOptoelectronicsPhysical chemistryComputational chemistryCondensed matter physicsChemistryOrganic chemistryPhysicsCatalysisLayer (electronics)2D Materials and ApplicationsGas Sensing Nanomaterials and SensorsMXene and MAX Phase Materials